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159503-24-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-amino-, methyl ester
CAS No: 159503-24-9 Catalog No: AG001R4D MDL No:MFCD03424681
Product Description
Catalog Number:
AG001R4D
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-amino-, methyl ester
CAS Number:
159503-24-9
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD03424681
IUPAC Name:
methyl 4-(3-aminophenyl)benzoate
InChI:
InChI=1S/C14H13NO2/c1-17-14(16)11-7-5-10(6-8-11)12-3-2-4-13(15)9-12/h2-9H,15H2,1H3
InChI Key:
VXTVRZIUOJSIIN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1cccc(c1)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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